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- ChemComp-ZDP: (2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: ZDP
NameName: (2S,6S)-2,6-diamino-2-methylheptanedioic acid

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Chemical information

Composition
Formula: C8H16N2O4 / Number of atoms: 30 / Formula weight: 204.224 / Formal charge: 0
Others

2gke

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: ZDP / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2GKE
History
Create componentApr 13, 2006
Modify descriptorJun 4, 2011
Modify descriptorJan 5, 2012
Modify coordinatesJan 5, 2012
External linksUniChem / ChemSpider / Nikkaji / PubChem / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04O=C(O)C(N)(CCCC(N)C(=O)O)C
CACTVS 3.385C[C](N)(CCC[CH](N)C(O)=O)C(O)=O
OpenEye OEToolkits 1.7.5CC(CCCC(C(=O)O)N)(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.385C[C@](N)(CCC[C@H](N)C(O)=O)C(O)=O
OpenEye OEToolkits 1.7.5C[C@](CCC[C@@H](C(=O)O)N)(C(=O)O)N

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InChI

InChI 1.03InChI=1S/C8H16N2O4/c1-8(10,7(13)14)4-2-3-5(9)6(11)12/h5H,2-4,9-10H2,1H3,(H,11,12)(H,13,14)/t5-,8-/m0/s1

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InChIKey

InChI 1.03TVZGBXIJPFGQBJ-XNCJUZBTSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(2S,6S)-2,6-diamino-2-methylheptanedioic acid
OpenEye OEToolkits 1.5.0(2S,6S)-2,6-diamino-2-methyl-heptanedioic acid

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PDB entries

Showing all 2 items

PDB-2gke:
Crystal structure of diaminopimelate epimerase in complex with an irreversible inhibitor LL-AziDAP

PDB-3ejx:
Crystal structure of diaminopimelate epimerase from Arabidopsis thaliana in complex with LL-AziDAP

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